• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: ARQ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.51

List of identified carbohydrate fragments:

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 30, 2]
  Fragment all atoms: [1, 38, 39, 40, 30, 3, 44, 45, 46, 37, 2, 41, 42, 43]
  

• C₁₁H₁₉N₂O₃
  Fragment probability: 0.52
  Fragment mass: 244.30980000000008
  Fragment main chain atoms: [1, 30, 37, 29, 31, 26, 27, 22, 33, 4]
  Fragment all atoms: [1, 38, 39, 40, 30, 2, 3, 41, 42, 43, 44, 45, 46, 37, 29, 36, 31, 26, 71, 20, 65, 66, 23, 27, 72, 34, 75, 22, 69, 70, 33, 4, 47, 48, 49]
  

• C₁₁H₁₆N₃O₄
  Fragment probability: 0.48
  Fragment mass: 283.34580000000005
  Fragment main chain atoms: [1, 30, 37, 29, 31, 26, 27, 22, 33, 32, 28]
  Fragment all atoms: [1, 38, 39, 40, 30, 2, 3, 41, 42, 43, 44, 45, 46, 37, 29, 36, 31, 26, 71, 20, 65, 66, 23, 27, 72, 34, 75, 22, 69, 70, 33, 32, 28, 35]
  

• C₂H₃N₂O₁
  Fragment probability: 0.42
  Fragment mass: 110.1368
  Fragment main chain atoms: [4, 33, 32, 28]
  Fragment all atoms: [4, 47, 48, 49, 33, 32, 28, 35]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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